Information card for entry 4025723

Structure parameters

• Formula: C36 H42 N O5 Si
• Calculated formula: C36 H42 N O5 Si
• Title of publication: Total Synthesis of (+)-Isatisine A
• Authors of publication: Avedis Karadeolian; Michael A. Kerr
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 6830 - 6841
• a: 7.7127 ± 0.0015 Å
• b: 9.0249 ± 0.0018 Å
• c: 23.602 ± 0.005 Å
• α: 98.62 ± 0.03°
• β: 93.36 ± 0.03°
• γ: 98.99 ± 0.03°
• Cell volume: 1598.7 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No